Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVEQKDKYRPCVGIMLFNKQGHVFIGKRFDSDSYWQMPQGGIDDGEKLEQAALRELLEEVGTDK--AKIIAKNKDWIYYNLPEEVI-----PTCWNGRYSGQKQRWFLMKFYGEGKDININYTDHPEFKEWRWQSVDNLVAGAIPFKKEVYKTVIEEFSSQIKVSIIK
2KDW Chain:A ((5-155))
-----DGYRPNVGIVICNRQGQVMWARRFGQHS-WQFPQGGINPGESAEQAMYRALFEEVGLSRKDVRILASTRNWLRYKLPKRLVRWDTKPVC-----IGQKQKWFLLQLVSGDAEINMQTSSTPEFDGWRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVMSLQEN
General information:
TITO was launched using:
RESULT:
Template:
2KDW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53983 for 1062 contacts (-50.8/contact) +
2D Compatibility (PS) -15524 + (NN) -7023 + (LL) 876
1D Compatibility (HY) -16800 + (ID) 3250
Total energy: -95704.0 ( -90.12 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_2KDW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KDW-query.scw
PDB file :
Tito_Scwrl_2KDW.pdb
: